CID 5271716

2-(indolo[3,2-b]quinoxalin-6-ylmethyl)thiazole

Structural Information

Molecular Formula
C18H12N4S
SMILES
C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3N2CC5=NC=CS5
InChI
InChI=1S/C18H12N4S/c1-4-8-15-12(5-1)17-18(22(15)11-16-19-9-10-23-16)21-14-7-3-2-6-13(14)20-17/h1-10H,11H2
InChIKey
MNCDEXWZVMWLGN-UHFFFAOYSA-N
Compound name
2-(indolo[3,2-b]quinoxalin-6-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.07828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08556 170.4
[M+Na]+ 339.06750 185.4
[M-H]- 315.07100 177.0
[M+NH4]+ 334.11210 187.5
[M+K]+ 355.04144 177.8
[M+H-H2O]+ 299.07554 162.3
[M+HCOO]- 361.07648 187.6
[M+CH3COO]- 375.09213 183.1
[M+Na-2H]- 337.05295 175.5
[M]+ 316.07773 177.8
[M]- 316.07883 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.